Geometry & MOs

Info

ID:	201384
PubChem CID:	79531097
Reduced:	ClSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	282.092832
ΔH_f, kcal/mol:	95.11
Dipole, Da:	4.26
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)CN3C=C(N=N3)N)Cl

DOS

IR

Vibrations